O2-methyl O4-propyl 3-methyl-5-[2-(3-methyl-5-nitro-pyrazol-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: O2-methyl O4-propyl 3-methyl-5-[2-(3-methyl-5-nitro-pyrazol-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-methyl O4-propyl 3-methyl-5-[[2-(3-methyl-5-nitro-pyrazol-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-(3-methyl-5-nitro-1-pyrazolyl)-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid O2-methyl ester O4-propyl ester IUPAC Name: 2-O-methyl 4-O-propyl 3-methyl-5-[[2-(3-methyl-5-nitropyrazol-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-(3-methyl-5-nitro-pyrazol-1-yl)acetyl]amino]thiophene-2,4-dicarboxylic acid O2-methyl ester O4-propyl ester Formula: C17H20N4O7S MolecularWeight: 424.4283

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)CN2C(=CC(=N2)C)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)CN2C(=CC(=N2)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O7S/c1-5-6-28-16(23)13-10(3)14(17(24)27-4)29-15(13)18-11(22)8-20-12(21(25)26)7-9(2)19-20/h7H,5-6,8H2,1-4H3,(H,18,22)